Structure of PDB 8i07 Chain A Binding Site BS06

Receptor Information
>8i07 Chain A (length=594) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMAKMRAVDAAMYVLEKEGITTAFGVPGAAINPFYSAMRKHGGIRHILAR
HVEGASHMAEGYTRATAGNIGVCLGTSGPAGTDMITALYSASADSIPILC
ITGQAPRARLHKEDFQAVDIEAIAKPVSKMAVTVREAALVPRVLQQAFHL
MRSGRPGPVLVDLPFDVQVAEIEFDPDMYEPLPVYKPAASRMQIEKAVEM
LIQAERPVIVAGGGVINADAAALLQQFAELTSVPVIPTLMGWGCIPDDHE
LMAGMVGLQTAHRYGNATLLASDMVFGIGNRFAQRHTGSVEKYTEGRKIV
HIDIEPTQIGRVLCPDLGIVSDAKAALTLLVEVAQEMQKAGRLPCRKEWV
ADCQQRKRTLLRKTHFDNVPVKPQRVYEEMNKAFGRDVCYVTTIGLSQIA
AAQMLHVFKDRHWINCGQAGPLGWTIPAALGVCAADPKRNVVAISGDFDF
QFLIEELAVGAQFNIPYIHVLVNNAYLGLIRQSQMAFDMDYCVQLAFENI
NSSEVNGYGVDHVKVAEGLGCKAIRVFKPEDIAPAFEQAKALMAQYRVPV
VVEVILERVTNISMGSELDNVMEFEDIADNAADAPTETCFMHYE
Ligand information
Ligand IDUQ1
InChIInChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
InChIKeySOECUQMRSRVZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)C
FormulaC14 H18 O4
NameUBIQUINONE-1
ChEMBLCHEMBL1236594
DrugBankDB08689
ZINCZINC000001559692
PDB chain8i07 Chain A Residue 607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i07 Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose
Resolution1.99 Å
Binding residue
(original residue number in PDB)		C491 Q493
Binding residue
(residue number reindexed from 1)		C492 Q494
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.47: tartronate-semialdehyde synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0009028 tartronate-semialdehyde synthase activity
GO:0016829 lyase activity
GO:0030976 thiamine pyrophosphate binding
GO:0042802 identical protein binding
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0009436 glyoxylate catabolic process
GO:0019752 carboxylic acid metabolic process
GO:0046296 glycolate catabolic process
Cellular Component
GO:0005948 acetolactate synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8i07, PDBe:8i07, PDBj:8i07
PDBsum8i07
PubMed37890751
UniProtP0AEP7|GCL_ECOLI Glyoxylate carboligase (Gene Name=gcl)

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